CID 154700122

Ns00117831

Structural Information

Molecular Formula
C19H25ClN2O3
SMILES
CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CC4CCC(C3)[N+]4(C)[O-])C
InChI
InChI=1S/C19H25ClN2O3/c1-19(2)10-11-6-12(20)7-16(17(11)25-19)18(23)21-13-8-14-4-5-15(9-13)22(14,3)24/h6-7,13-15H,4-5,8-10H2,1-3H3,(H,21,23)
InChIKey
YVVPNZDUNJQAQQ-UHFFFAOYSA-N
Compound name
5-chloro-2,2-dimethyl-N-(8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.15536 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16264 182.1
[M+Na]+ 387.14458 193.5
[M+NH4]+ 382.18918 193.7
[M+K]+ 403.11852 188.6
[M-H]- 363.14808 186.7
[M+Na-2H]- 385.13003 184.9
[M]+ 364.15481 185.4
[M]- 364.15591 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.